ethyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-3-oxobutanoate
ethyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-3-oxobutanoate
Compound characteristics
| Compound ID: | K292-0591 |
| Compound Name: | ethyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-3-oxobutanoate |
| Molecular Weight: | 446.5 |
| Molecular Formula: | C20 H18 N2 O6 S2 |
| Smiles: | CCOC(CC(CSC1=Nc2ccsc2C(N1Cc1ccc2c(c1)OCO2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0562 |
| logD: | 3.0562 |
| logSw: | -3.3112 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.09 |
| InChI Key: | MPAUUVGQKLGHTL-UHFFFAOYSA-N |